1,1,1-trichloro-2-methyl-2-propan-2-yloxypropane

C7H13Cl3O — CID 20782608

IUPAC1,1,1-trichloro-2-methyl-2-propan-2-yloxypropane
SMILESCC(C)OC(C)(C)C(Cl)(Cl)Cl
InChIInChI=1S/C7H13Cl3O/c1-5(2)11-6(3,4)7(8,9)10/h5H,1-4H3
InChIKeyXPCLHIRZGQBGGM-UHFFFAOYSA-N
MW219.54 g/mol
LogP3.56
Rot. Bonds2

About 1,1,1-trichloro-2-methyl-2-propan-2-yloxypropane

1,1,1-trichloro-2-methyl-2-propan-2-yloxypropane (PubChem CID 20782608) has the molecular formula C7H13Cl3O and a molecular weight of 219.54 g/mol. Its IUPAC name is 1,1,1-trichloro-2-methyl-2-propan-2-yloxypropane.

Molecular Properties

Compound Name1,1,1-trichloro-2-methyl-2-propan-2-yloxypropane
PubChem CID20782608
Molecular FormulaC7H13Cl3O
Molecular Weight219.54 g/mol
Exact Mass218.00
IUPAC Name1,1,1-trichloro-2-methyl-2-propan-2-yloxypropane
SMILESCC(C)OC(C)(C)C(Cl)(Cl)Cl
InChIInChI=1S/C7H13Cl3O/c1-5(2)11-6(3,4)7(8,9)10/h5H,1-4H3
InChIKeyXPCLHIRZGQBGGM-UHFFFAOYSA-N
XLogP3.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.54
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(trichloromethoxy)propane
CID 87418636
(1,1-dichloro-2-methyl-2-propan-2-yloxypropyl)benzene
CID 21316533
1,1,1-trichloro-2-methoxy-2-methylpropane
CID 14399470
1-propan-2-yloxyethane-1,1-diamine
CID 163518548
1,1,1-trichloro-2-methyl-2-[(2-methylpropan-2-yl)oxy]propane
CID 59551347
2-methyl-2-propan-2-yloxypropane;propan-2-ol
CID 88729747
2-bromo-1-chloro-1-fluoro-2-methoxy-1-propan-2-yloxypropane
CID 123569607
2-chloro-2-[fluoro(propan-2-yloxy)phosphoryl]propane
CID 151495462
CID 159796358
CID 159796358
(1,1,1-trichloro-2-methylpropan-2-yl) formate
CID 22027716
2-isocyano-2-propan-2-yloxypropane
CID 22735052
1,1-difluoro-2,2,3-trimethyl-1-propan-2-yloxybutane
CID 131993511

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trichloro-2-methyl-2-propan-2-yloxypropane?
The IUPAC name of 1,1,1-trichloro-2-methyl-2-propan-2-yloxypropane (CID 20782608) is 1,1,1-trichloro-2-methyl-2-propan-2-yloxypropane.
What is the SMILES notation for 1,1,1-trichloro-2-methyl-2-propan-2-yloxypropane?
The canonical SMILES for 1,1,1-trichloro-2-methyl-2-propan-2-yloxypropane is CC(C)OC(C)(C)C(Cl)(Cl)Cl.
What is the InChIKey of 1,1,1-trichloro-2-methyl-2-propan-2-yloxypropane?
The InChIKey is XPCLHIRZGQBGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13Cl3O/c1-5(2)11-6(3,4)7(8,9)10/h5H,1-4H3.
What are the key properties of 1,1,1-trichloro-2-methyl-2-propan-2-yloxypropane?
1,1,1-trichloro-2-methyl-2-propan-2-yloxypropane has a molecular weight of 219.54 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trichloro-2-methyl-2-propan-2-yloxypropane is sourced from PubChem (CID 20782608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).